[4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate

C17H19NO6 — CID 23038333

IUPAC[4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate
SMILESCNc1ccc2c(OC(C)=O)c(OC)c(OC)c(OC(C)=O)c2c1
InChIInChI=1S/C17H19NO6/c1-9(19)23-14-12-7-6-11(18-3)8-13(12)15(24-10(2)20)17(22-5)16(14)21-4/h6-8,18H,1-5H3
InChIKeyANXZVDJDIJGOAR-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.75
Rot. Bonds5

About [4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate

[4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate (PubChem CID 23038333) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is [4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate.

Molecular Properties

Compound Name[4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate
PubChem CID23038333
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name[4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate
SMILESCNc1ccc2c(OC(C)=O)c(OC)c(OC)c(OC(C)=O)c2c1
InChIInChI=1S/C17H19NO6/c1-9(19)23-14-12-7-6-11(18-3)8-13(12)15(24-10(2)20)17(22-5)16(14)21-4/h6-8,18H,1-5H3
InChIKeyANXZVDJDIJGOAR-UHFFFAOYSA-N
XLogP2.75
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-acetyloxy-2,3-dimethoxy-6-phenylnaphthalen-1-yl) acetate
CID 23038229
(4-acetyloxy-2,3-dimethoxy-7-methylsulfinylnaphthalen-1-yl) butanoate
CID 23038446
bicyclo[2.2.0]hexa-1,3,5-triene;(7-chloro-4-hydroxy-2,3-dimethoxynaphthalen-1-yl) acetate
CID 23038234
(7-cyano-4-hydroxy-2,3-dimethoxynaphthalen-1-yl) acetate
CID 23038504
(2-acetyl-5-acetyloxy-3,4,6-trimethoxyphenyl) acetate
CID 11759186
(7-hydroxy-4-methoxy-2-oxochromen-3-yl) acetate
CID 19929885
(4-acetyloxy-7-fluoro-2,3-dimethoxynaphthalen-1-yl) heptanoate
CID 23038843
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039
(4-hydroxy-2-methoxy-3-methylnaphthalen-1-yl) acetate
CID 19873003
(4-butoxy-2,3-dimethoxy-6,7-dimethylnaphthalen-1-yl) acetate
CID 149158265
(4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate
CID 19873071
[4-hydroxy-2,3-dimethoxy-6-(1-phenylethoxy)naphthalen-1-yl] acetate
CID 67897809

Frequently Asked Questions

What is the IUPAC name of [4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate?
The IUPAC name of [4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate (CID 23038333) is [4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate.
What is the SMILES notation for [4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate?
The canonical SMILES for [4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate is CNc1ccc2c(OC(C)=O)c(OC)c(OC)c(OC(C)=O)c2c1.
What is the InChIKey of [4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate?
The InChIKey is ANXZVDJDIJGOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-9(19)23-14-12-7-6-11(18-3)8-13(12)15(24-10(2)20)17(22-5)16(14)21-4/h6-8,18H,1-5H3.
What are the key properties of [4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate?
[4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate has a molecular weight of 333.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate is sourced from PubChem (CID 23038333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).